1,3,3a,4,7,7a-Hexahydroisobenzofuran
TL;DR: 1,3,3a,4,7,7a-Hexahydroisobenzofuran (CAS 3471-41-8) is a chemical compound with molecular formula C8H12O and molecular weight 124.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,3a,4,7,7a-hexahydro-2-benzofuran
Also Known As: 1,3,3a,4,7,7a-Hexahydroisobenzofuran, 1,3,3a,4,7,7a-hexahydro-2-benzofuran, KST-1B5267, 1,3,3a,4,7,7a-Hexahydroisobenzo[b]furan, cis-1,3,3a,4,7,7a-hexahydro-isobenzofuran
| Molecular Formula | C8H12O |
|---|---|
| Molecular Weight | 124.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 124.08881 |
| Heavy Atoms | 9 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 3471-41-8 |
|---|---|
| SMILES | C1C=CCC2C1COC2 |
| InChIKey | JQDSHMKTGWQGHB-UHFFFAOYSA-N |
Product Overview
1,3,3a,4,7,7a-Hexahydroisobenzofuran (CAS 3471-41-8), with molecular formula C8H12O and molecular weight 124.09 g/mol. IUPAC: 1,3,3a,4,7,7a-hexahydro-2-benzofuran.
Chemical Property Profile of 1,3,3a,4,7,7a-Hexahydroisobenzofuran
Property Insights of 1,3,3a,4,7,7a-Hexahydroisobenzofuran
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,3a,4,7,7a-Hexahydroisobenzofuran. With a topological polar surface area (TPSA) of 9.2 Ų, 1,3,3a,4,7,7a-Hexahydroisobenzofuran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,3a,4,7,7a-Hexahydroisobenzofuran has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3,3a,4,7,7a-Hexahydroisobenzofuran?
The CAS number of 1,3,3a,4,7,7a-Hexahydroisobenzofuran is 3471-41-8.
What is the molecular formula of 1,3,3a,4,7,7a-Hexahydroisobenzofuran?
The molecular formula of 1,3,3a,4,7,7a-Hexahydroisobenzofuran is C8H12O.
What is the molecular weight of 1,3,3a,4,7,7a-Hexahydroisobenzofuran?
The molecular weight of 1,3,3a,4,7,7a-Hexahydroisobenzofuran is 124.09 g/mol.
Where can I buy 1,3,3a,4,7,7a-Hexahydroisobenzofuran?
You can request a quote for 1,3,3a,4,7,7a-Hexahydroisobenzofuran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,3a,4,7,7a-Hexahydroisobenzofuran?
Yes, KEHONG BIO provides custom synthesis services for 1,3,3a,4,7,7a-Hexahydroisobenzofuran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.